N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide

C22H22N6O5S — CID 10206168

IUPACN-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccncc2)c2c(C(=O)NO)cnc3c2c(C)nn3C)cc1
InChIInChI=1S/C22H22N6O5S/c1-14-19-20(18(22(29)26-30)12-24-21(19)27(2)25-14)28(13-15-8-10-23-11-9-15)34(31,32)17-6-4-16(33-3)5-7-17/h4-12,30H,13H2,1-3H3,(H,26,29)
InChIKeyACEOVDUFVRJXCR-UHFFFAOYSA-N
MW482.52 g/mol
LogP2.19
Rot. Bonds7

About N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide

N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 10206168) has the molecular formula C22H22N6O5S and a molecular weight of 482.52 g/mol. Its IUPAC name is N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID10206168
Molecular FormulaC22H22N6O5S
Molecular Weight482.52 g/mol
Exact Mass482.14
IUPAC NameN-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccncc2)c2c(C(=O)NO)cnc3c2c(C)nn3C)cc1
InChIInChI=1S/C22H22N6O5S/c1-14-19-20(18(22(29)26-30)12-24-21(19)27(2)25-14)28(13-15-8-10-23-11-9-15)34(31,32)17-6-4-16(33-3)5-7-17/h4-12,30H,13H2,1-3H3,(H,26,29)
InChIKeyACEOVDUFVRJXCR-UHFFFAOYSA-N
XLogP2.19
TPSA139.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-1-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10120813
N-hydroxy-4-[(4-methoxyphenyl)sulfonylmethyl-thiophen-3-ylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10277921
4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10186703
ethyl 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 22322115
3-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 18549774
4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-1-methyl-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 18549761
N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10206977
N-hydroxy-1-methyl-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10208692
N-hydroxy-8-methoxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]quinoline-3-carboxamide
CID 10141426
4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-methylsulfonylpyrimidine-5-carboxamide
CID 158695318
1-(2,4-dimethoxyphenyl)-N-hydroxy-4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-ylamino]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10232506
4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxylic acid
CID 54403109

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 10206168) is N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide is COc1ccc(S(=O)(=O)N(Cc2ccncc2)c2c(C(=O)NO)cnc3c2c(C)nn3C)cc1.
What is the InChIKey of N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is ACEOVDUFVRJXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O5S/c1-14-19-20(18(22(29)26-30)12-24-21(19)27(2)25-14)28(13-15-8-10-23-11-9-15)34(31,32)17-6-4-16(33-3)5-7-17/h4-12,30H,13H2,1-3H3,(H,26,29).
What are the key properties of N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 482.52 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 10206168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).